| SpectraBase Compound ID | 2GfgZGKamXo |
|---|---|
| InChI | InChI=1S/C25H42O3Si/c1-8-10-11-12-16-19-23(28-29(6,7)25(3,4)5)20-22(9-2)27-24(26)21-17-14-13-15-18-21/h9,13-15,17-18,22-23H,2,8,10-12,16,19-20H2,1,3-7H3/t22-,23+/m0/s1 |
| InChIKey | AQGXFQOLOQQWRW-XZOQPEGZSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C25H42O3Si |
| Exact Mass | 418.290322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4SHaMBKTyqG |
|---|---|
| Name | (3R,5R)-5-(Tert-butyldimethylsiloxy)dodec-1-en-3-yl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.290321744 u |
| Formula | C25H42O3Si |
| InChI | InChI=1S/C25H42O3Si/c1-8-10-11-12-16-19-23(28-29(6,7)25(3,4)5)20-22(9-2)27-24(26)21-17-14-13-15-18-21/h9,13-15,17-18,22-23H,2,8,10-12,16,19-20H2,1,3-7H3/t22-,23+/m0/s1 |
| InChIKey | AQGXFQOLOQQWRW-XZOQPEGZSA-N |
| Molecular Weight | 418.693 g/mol |
| SMILES | C(O[C@](C[C@](O[Si](C(C)(C)C)(C)C)(CCCCCCC)[H])(C=C)[H])(=O)C1=CC=CC=C1 |